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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	Theophylline, 7-(2-propynyl)-
Molecular formula	C10H10N4O2
IUPAC name	1,3-dimethyl-7-prop-2-ynylpurine-2,6-dione
Molecular weight	218.216
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	-0.2
Synonyms	CTK4C2488 SCHEMBL316763 AC1Q6LDS MolPort-019-736-128 ZINC1004419 1,3-Dimethyl-7-prop-2-ynyl-3,7-dihydro-purine-2,6-dione NSC515504 14114-45-5 7-Propargyl 1,3-dimethylxanthine DTXSID70161576 AKOS033057549 NSC 515504 1,3-dimethyl-7-prop-2-ynylpurine-2,6-dione CHEMBL24049 NV128EH6B5 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(2-propyn-1-yl)- AC1L2QT1 MCULE-9838069269 UNII-NV128EH6B5 BDBM50025576 NSC-515504 1,3-dimethyl-7-propargylxanthine [ Show all ]
Inchi Key	DKHAOCKWCMAXNV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H10N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h1,6H,5H2,2-3H3
PubChem CID	101422
ChEMBL	CHEMBL24049
IUPHAR	N/A
BindingDB	50025576
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
62250	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
62252	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
62251	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332

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